2-chloranyl-3-[(3,5-dimethylpyrazol-1-yl)oxymethyl]-4-methylsulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-3-[(3,5-dimethylpyrazol-1-yl)oxymethyl]-4-methylsulfonyl-benzoic acid Openeye Name: 2-chloro-3-[(3,5-dimethylpyrazol-1-yl)oxymethyl]-4-methylsulfonyl-benzoic acid CAS Name: 2-chloro-3-[(3,5-dimethyl-1-pyrazolyl)oxymethyl]-4-methylsulfonylbenzoic acid IUPAC Name: 2-chloro-3-[(3,5-dimethylpyrazol-1-yl)oxymethyl]-4-methylsulfonylbenzoic acid Traditional Name: 2-chloro-3-[(3,5-dimethylpyrazol-1-yl)oxymethyl]-4-mesyl-benzoic acid Formula: C14H15ClN2O5S MolecularWeight: 358.7973

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1OCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=NN1OCC2=C(C=CC(=C2Cl)C(=O)O)S(=O)(=O)C)C

InChI

InChI=1S/C14H15ClN2O5S/c1-8-6-9(2)17(16-8)22-7-11-12(23(3,20)21)5-4-10(13(11)15)14(18)19/h4-6H,7H2,1-3H3,(H,18,19)